Morphing ab initio potential energy curve of beryllium monohydride

- The ab initio potential energy function of Koput (2011) is morphed.
- The morphing is performed within the RPC approach of Jenč (1983).
- The morphed potentials allow for reliable predictions for BeX (X = H, D, T).

Effective (mass-dependent) potential energy curves of the ground electronic states of 9BeH, 9BeD, and 9BeT are constructed by morphing a very accurate MR-ACPF ab initio potential of Koput (2011) within the framework of the reduced potential energy curve approach of Jenč (1983). The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. The resulting potential energy curves provide a fairly quantitative reproduction of the fitted data. This allows for a reliable prediction of the so-far unobserved molecular states in terms of only a small number of fitting parameters.

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